SCHEMBL6803739

SCHEMBL6803739

Cc1ccc(C(=O)Nc2ccc(NCCc3ccccn3)c([N+](=O)[O-])c2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.48
PKM P14618 3/20 0.48
TRPV1 Q8NER1 2/20 0.47
MAPT P10636 7/20 0.46
LMNA P02545 3/20 0.46
THRB P10828 1/20 0.44
MTTP P55157 2/20 0.44
APOB P04114 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNMA1 Q12791 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6798429 0.92 SMO (0.57) SMOPKMTRPV1MAPTLMNA
SCHEMBL6802784 0.88 SMO (0.51) SMOTRPV1MAPTLMNAMTTP
SCHEMBL6488178 0.87 SMO (0.52) SMOTRPV1MTTPAPOB
SCHEMBL6809184 0.87 SMO (0.56) SMOPKMTRPV1MAPTLMNA
SCHEMBL6490917 0.87 TRPV1 (0.47) SMOTRPV1MAPTLMNAMTTP
SCHEMBL6641308 0.86 PKM (0.51) SMOPKMTRPV1MAPTLMNA
SCHEMBL6640445 0.84 MAPT (0.49) SMOPKMTRPV1MAPTLMNA
SCHEMBL6804166 0.84 SMO (0.61) SMOTRPV1LMNAMTTPAPOB
SCHEMBL6804647 0.83 TRPV1 (0.45) SMOTRPV1MTTPAPOB
SCHEMBL6804655 0.83 TRPV1 (0.45) SMOTRPV1MTTPAPOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 SMO 4390/4885PKM 3470/4885TRPV1 2399/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.